(2S)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide

C16H20N4O — CID 61155289

IUPAC(2S)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESCc1c(C(C)NC(=O)[C@@H]2Cc3ccccc3N2)cnn1C
InChIInChI=1S/C16H20N4O/c1-10(13-9-17-20(3)11(13)2)18-16(21)15-8-12-6-4-5-7-14(12)19-15/h4-7,9-10,15,19H,8H2,1-3H3,(H,18,21)/t10?,15-/m0/s1
InChIKeyHWKLYLMPUJMYCI-WRXSAAJRSA-N
MW284.36 g/mol
LogP1.94
Rot. Bonds3

About (2S)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide

(2S)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 61155289) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is (2S)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID61155289
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name(2S)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESCc1c(C(C)NC(=O)[C@@H]2Cc3ccccc3N2)cnn1C
InChIInChI=1S/C16H20N4O/c1-10(13-9-17-20(3)11(13)2)18-16(21)15-8-12-6-4-5-7-14(12)19-15/h4-7,9-10,15,19H,8H2,1-3H3,(H,18,21)/t10?,15-/m0/s1
InChIKeyHWKLYLMPUJMYCI-WRXSAAJRSA-N
XLogP1.94
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(2-methylphenyl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 81363627
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 104931831
(2S)-N-[(1R)-1-(2-chlorophenyl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 81375531
(2S)-N-[(1S)-1-(2-bromophenyl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 81388252
(2S)-N-[1-(1H-pyrazol-4-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 106212683
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 43435521
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76888120
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-ethylpiperidine-2-carboxamide
CID 114428161
(2R)-2-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoic acid
CID 54991181
(2S)-N-[(1S)-1-(4-bromophenyl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 81353032
N-[1-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 77045193
(2S)-N-[(1S)-1-cyclopentylethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 81390006

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of (2S)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide (CID 61155289) is (2S)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for (2S)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for (2S)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide is Cc1c(C(C)NC(=O)[C@@H]2Cc3ccccc3N2)cnn1C.
What is the InChIKey of (2S)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is HWKLYLMPUJMYCI-WRXSAAJRSA-N. The full InChI is InChI=1S/C16H20N4O/c1-10(13-9-17-20(3)11(13)2)18-16(21)15-8-12-6-4-5-7-14(12)19-15/h4-7,9-10,15,19H,8H2,1-3H3,(H,18,21)/t10?,15-/m0/s1.
What are the key properties of (2S)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide?
(2S)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 61155289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).